2-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C19H27N6OS2+ MolecularWeight: 419.58728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=S)NCC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=S)NCC[NH+](C)C)C

InChI

InChI=1S/C19H26N6OS2/c1-13-11-14(2)22-19(21-13)28-12-15-5-7-16(8-6-15)17(26)23-24-18(27)20-9-10-25(3)4/h5-8,11H,9-10,12H2,1-4H3,(H,23,26)(H2,20,24,27)/p+1